3-Chloro-2-butanone - CAS 4091-39-8
Catalog: |
BB024713 |
Product Name: |
3-Chloro-2-butanone |
CAS: |
4091-39-8 |
Synonyms: |
3-chlorobutan-2-one |
IUPAC Name: | 3-chlorobutan-2-one |
Description: | 3-Chloro-2-butanone (CAS# 4091-39-8) is an α-chloro ketone that undergoes photolysis to yield hydrogen chloride as a major product. 3-Chloro-2-butanone is widely used in the chemical and pharmaceutical industries as an intermediate or starting material (for example its use in a one-pot synthesis of γ-iminolactones). |
Molecular Weight: | 106.55 |
Molecular Formula: | C4H7ClO |
Canonical SMILES: | CC(C(=O)C)Cl |
InChI: | InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3 |
InChI Key: | OIMRLHCSLQUXLL-UHFFFAOYSA-N |
Boiling Point: | 114-117 °C |
Purity: | 95 % |
Density: | 1.055 g/cm3 |
Appearance: | Yellow clear liquid |
Storage: | Flammables area |
MDL: | MFCD00000865 |
LogP: | 1.20270 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112341373-A | Preparation method of ftibamzone | 20201130 |
CN-112110801-A | Method for synthesizing gamma-aryl substituted ketone compound | 20201009 |
WO-2021129723-A1 | Antifungal water-soluble prodrug and preparation method therefor | 20191226 |
CN-110590691-A | Method for preparing tetra-substituted vinyl oxazolidine-2, 4-diketone from carbon dioxide | 20191012 |
CN-111909215-A | Organometallic compound and organic light emitting device including the same | 20190510 |
PMID | Publication Date | Title | Journal |
19228051 | 20090319 | Products and mechanism of the reaction of Cl with butanone in N2/O2 diluent at 297-526 K | The journal of physical chemistry. A |
12688787 | 20030418 | Enantiomerization study of some alpha-nitroketones by dynamic high-resolution gas chromatography | The Journal of organic chemistry |
Complexity: | 60.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 106.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 106.0185425 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS